The p-sc structure in phosphorus: bringing order to the high pressure phases of group 15 elements

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Abstract
Black phosphorus was studied by state-of-the-art synchrotron X-ray diffraction in a Diamond Anvil Cell during room temperature compression in the presence of He, H2, N2 and Daphne Oil 7474. The data demonstrate that the existence of the pseudo simple-cubic (p-sc) structure above 10.5 GPa is an intrinsic feature of P independent from the pressure transmitting medium. In the case of He, the pressure evolution of the lattice parameters and unit cell volume of P across the A17, A7 and p-sc structures was obtained and the corresponding EOS derived, providing a deeper insight on the recently reported p-sc structure. The results presented in this letter highlight the key role of the s–p orbital mixing in the formation and stabilization of the p-sc structure up to ∼30 GPa, solving apparent contradictions emerging from previous literature and finally bringing order to the sequence of the high pressure A7 layered structure in group 15 elements.
Funding Information
  • H2020 European Research Council (ERC Advanced Grant (No. 670173))
  • Ministero dell'Istruzione, dell'Università e della Ricerca
  • Ente Cassa di Risparmio di Firenze
  • Alfred P. Sloan Foundation

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